Sugi Predict

Sugi Predict / Compounds / SCHEMBL2805214

SCHEMBL2805214

SCHEMBL2805214

Cc1cccc(S(=O)(=O)NC2CCc3c(cnc4[nH]ncc34)C2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 1/20 0.39
▸ TNNI3K Q59H18 1/20 0.38
▸ HTR7 P34969 3/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ HDAC8 Q9BY41 5/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HSD11B1 P28845 1/20 0.37
▸ HTR6 P50406 5/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ BRD2 P25440 1/20 0.36
▸ BRD3 Q15059 1/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TBXA2R P21731 2/20 0.36
▸ PNMT P11086 1/20 0.36
▸ STS P08842 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13273539 0.88 TNNI3K (0.40) TNNI3KHDAC8HDAC6ALDH1A1LMNA
SCHEMBL2804752 0.88 HDAC8 (0.50) FBP1HTR7HTR1AHDAC8HDAC6
SCHEMBL2806632 0.88 HDAC8 (0.50) HTR7HTR1AHDAC8HDAC6HTR6
SCHEMBL2803941 0.88 ALDH1A1 (0.49) HDAC8ALDH1A1LMNAHTTTBXA2R
SCHEMBL2804951 0.88 ALDH1A1 (0.44) ALDH1A1HTTTBXA2R
SCHEMBL2489862 0.88 RB1 (0.43) HTR7HTR1AHDAC8HTR6DRD2
SCHEMBL2802661 0.88 HSD11B1 (0.40) TNNI3KHDAC8HSD11B1HTR6BRD4
SCHEMBL2804200 0.86 HDAC8 (0.52) HTR7HTR1AHDAC8HDAC6HTR6
SCHEMBL2805159 0.86 SGK1 (0.43) HDAC8HDAC6STS
SCHEMBL2804144 0.85 TBXA2R (0.42) HDAC8HTR6DRD2ALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 — — US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 — — US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 — — US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 — — US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 — — US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 — — US disclosed
WO-2010078427-A1 SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS NQO1, IDH3B, IDH1 FBP1 2913/4885TNNI3K 421/4885HTR7 1138/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.